3,3-dideuteriopentan-1-ol

C5H12O — CID 23271014

IUPAC3,3-dideuteriopentan-1-ol
SMILES[2H]C([2H])(CC)CCO
InChIInChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3/i3D2
InChIKeyAMQJEAYHLZJPGS-SMZGMGDZSA-N
MW90.16 g/mol
LogP1.17
Rot. Bonds3

About 3,3-dideuteriopentan-1-ol

3,3-dideuteriopentan-1-ol (PubChem CID 23271014) has the molecular formula C5H12O and a molecular weight of 90.16 g/mol. Its IUPAC name is 3,3-dideuteriopentan-1-ol.

Molecular Properties

Compound Name3,3-dideuteriopentan-1-ol
PubChem CID23271014
Molecular FormulaC5H12O
Molecular Weight90.16 g/mol
Exact Mass90.10
IUPAC Name3,3-dideuteriopentan-1-ol
SMILES[2H]C([2H])(CC)CCO
InChIInChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3/i3D2
InChIKeyAMQJEAYHLZJPGS-SMZGMGDZSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,3,3-tetradeuteriopentan-1-ol
CID 159796490
butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
butane;butane-1,4-diol
CID 160786697
tris(butan-1-ol);zirconium
CID 25200102
butane;butan-1-ol
CID 19774960
butan-1-ol;cadmium
CID 154199105
butan-1-ol;methanol
CID 23065762
sodium butan-1-ol
CID 19366054
butan-1-ol;nickel
CID 22477011
butan-1-ol;plumbane
CID 173408910
tetrakis(butan-1-ol);cerium
CID 87109841

Frequently Asked Questions

What is the IUPAC name of 3,3-dideuteriopentan-1-ol?
The IUPAC name of 3,3-dideuteriopentan-1-ol (CID 23271014) is 3,3-dideuteriopentan-1-ol.
What is the SMILES notation for 3,3-dideuteriopentan-1-ol?
The canonical SMILES for 3,3-dideuteriopentan-1-ol is [2H]C([2H])(CC)CCO.
What is the InChIKey of 3,3-dideuteriopentan-1-ol?
The InChIKey is AMQJEAYHLZJPGS-SMZGMGDZSA-N. The full InChI is InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3/i3D2.
What are the key properties of 3,3-dideuteriopentan-1-ol?
3,3-dideuteriopentan-1-ol has a molecular weight of 90.16 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dideuteriopentan-1-ol is sourced from PubChem (CID 23271014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).